Molecule

ID:3924

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉O₃P
Molecular Mass
194.208421
Exact Mass
194.1071811
Charge
0
InChI
InChI=1S/C8H19O3P/c1-3-5-6-7-8-12(9,10)11-4-2/h3-8H2,1-2H3,(H,9,10)
InChIKey
XPLOQMVUXWZLET-UHFFFAOYSA-N
Canonic Smiles
CCCCCC[P@@](=O)(OCC)O
Isomeric Smiles
CCCCCC[P@](=O)(O)OCC
Calculated Properties
JChem
Acid pKa
1.9330729
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.46248487
LogD (pH = 7.4)
-0.4852451
Log P
1.8202786
Molar Refractivity
49.6083
Polarizability
19.917158
Polar Surface Area
46.53
Rotatable Bonds
7
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.06
LOG S
-1.36
Solubility (Water)
8.53e+00 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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